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BioLiP Library

PDB CCD ID: 8AF
Number of entries in BioLiP: 0
Chemical formula: C23 H23 N6 O6 P
InChI: InChI=1S/C23H23N6O6P/c24-22-27-20-19(21(31)28-22)26-23(29(20)18-9-16(30)17(35-18)10-34-36(32)33)25-13-6-5-12-7-11-3-1-2-4-14(11)15(12)8-13/h1-6,8,16-18,30,32-33H,7,9-10H2,(H,25,26)(H3,24,27,28,31)/t16-,17+,18+/m0/s1
InChIKey: VSBNWWDZIACPPS-RCCFBDPRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1ccc-2c(c1)Cc3c2cc(cc3)Nc4nc5c(n4C6CC(C(O6)COP(O)O)O)NC(=NC5=O)N
CACTVS 3.385NC1=NC(=O)c2nc(Nc3ccc4Cc5ccccc5c4c3)n([C@H]6C[C@H](O)[C@@H](COP(O)O)O6)c2N1
CACTVS 3.385NC1=NC(=O)c2nc(Nc3ccc4Cc5ccccc5c4c3)n([CH]6C[CH](O)[CH](COP(O)O)O6)c2N1
OpenEye OEToolkits 2.0.5c1ccc-2c(c1)Cc3c2cc(cc3)Nc4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(O)O)O)NC(=NC5=O)N
Name:[(2~{R},3~{S},5~{R})-5-[2-azanyl-8-(9~{H}-fluoren-3-ylamino)-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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